N-propyl-1-[4-[(thiophene-2-carbonylamino)methyl]benzoyl]piperidine-3-carboxamide

C22H27N3O3S — CID 49401377

IUPACN-propyl-1-[4-[(thiophene-2-carbonylamino)methyl]benzoyl]piperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(C(=O)c2ccc(CNC(=O)c3cccs3)cc2)C1
InChIInChI=1S/C22H27N3O3S/c1-2-11-23-20(26)18-5-3-12-25(15-18)22(28)17-9-7-16(8-10-17)14-24-21(27)19-6-4-13-29-19/h4,6-10,13,18H,2-3,5,11-12,14-15H2,1H3,(H,23,26)(H,24,27)
InChIKeyUKOZYFFNJWGVLF-UHFFFAOYSA-N
MW413.54 g/mol
LogP3.06
Rot. Bonds7

About N-propyl-1-[4-[(thiophene-2-carbonylamino)methyl]benzoyl]piperidine-3-carboxamide

N-propyl-1-[4-[(thiophene-2-carbonylamino)methyl]benzoyl]piperidine-3-carboxamide (PubChem CID 49401377) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is N-propyl-1-[4-[(thiophene-2-carbonylamino)methyl]benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-propyl-1-[4-[(thiophene-2-carbonylamino)methyl]benzoyl]piperidine-3-carboxamide
PubChem CID49401377
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC NameN-propyl-1-[4-[(thiophene-2-carbonylamino)methyl]benzoyl]piperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(C(=O)c2ccc(CNC(=O)c3cccs3)cc2)C1
InChIInChI=1S/C22H27N3O3S/c1-2-11-23-20(26)18-5-3-12-25(15-18)22(28)17-9-7-16(8-10-17)14-24-21(27)19-6-4-13-29-19/h4,6-10,13,18H,2-3,5,11-12,14-15H2,1H3,(H,23,26)(H,24,27)
InChIKeyUKOZYFFNJWGVLF-UHFFFAOYSA-N
XLogP3.06
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977852
N-[[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide;hydrochloride
CID 119397160
N-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053418
N-[(4-chlorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46556728
N-butyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxamide
CID 49407863
N-[[4-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]methyl]thiophene-2-carboxamide
CID 136529433
5-methyl-1-[4-[(thiophene-2-carbonylamino)methyl]benzoyl]piperidine-3-carboxylic acid
CID 122118715
N-[(3-fluoro-4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134002117
(2S)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 24516955
N-[[4-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide
CID 119468196
N-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224083
N-[2-(4-chlorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946563

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-[4-[(thiophene-2-carbonylamino)methyl]benzoyl]piperidine-3-carboxamide?
The IUPAC name of N-propyl-1-[4-[(thiophene-2-carbonylamino)methyl]benzoyl]piperidine-3-carboxamide (CID 49401377) is N-propyl-1-[4-[(thiophene-2-carbonylamino)methyl]benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-propyl-1-[4-[(thiophene-2-carbonylamino)methyl]benzoyl]piperidine-3-carboxamide?
The canonical SMILES for N-propyl-1-[4-[(thiophene-2-carbonylamino)methyl]benzoyl]piperidine-3-carboxamide is CCCNC(=O)C1CCCN(C(=O)c2ccc(CNC(=O)c3cccs3)cc2)C1.
What is the InChIKey of N-propyl-1-[4-[(thiophene-2-carbonylamino)methyl]benzoyl]piperidine-3-carboxamide?
The InChIKey is UKOZYFFNJWGVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-2-11-23-20(26)18-5-3-12-25(15-18)22(28)17-9-7-16(8-10-17)14-24-21(27)19-6-4-13-29-19/h4,6-10,13,18H,2-3,5,11-12,14-15H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-propyl-1-[4-[(thiophene-2-carbonylamino)methyl]benzoyl]piperidine-3-carboxamide?
N-propyl-1-[4-[(thiophene-2-carbonylamino)methyl]benzoyl]piperidine-3-carboxamide has a molecular weight of 413.54 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-[4-[(thiophene-2-carbonylamino)methyl]benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 49401377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).